3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride

C8H6ClF3O3S — CID 53338927

IUPAC3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H6ClF3O3S/c1-15-6-2-5(8(10,11)12)3-7(4-6)16(9,13)14/h2-4H,1H3
InChIKeyJCJFHWJIWNJCOC-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.64
Rot. Bonds2

About 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride

3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 53338927) has the molecular formula C8H6ClF3O3S and a molecular weight of 274.65 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID53338927
Molecular FormulaC8H6ClF3O3S
Molecular Weight274.65 g/mol
Exact Mass273.97
IUPAC Name3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESCOc1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H6ClF3O3S/c1-15-6-2-5(8(10,11)12)3-7(4-6)16(9,13)14/h2-4H,1H3
InChIKeyJCJFHWJIWNJCOC-UHFFFAOYSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride (CID 53338927) is 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride is COc1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is JCJFHWJIWNJCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O3S/c1-15-6-2-5(8(10,11)12)3-7(4-6)16(9,13)14/h2-4H,1H3.
What are the key properties of 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride?
3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 274.65 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 53338927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).